Ipratropium

Ipratropium

SCHEMBL22077027

CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

The experimentally established mechanism targets of Ipratropium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 5/20 1.00
CHRM2 P08172 7/20 1.00
CHRM5 P08912 6/20 1.00
CHRM1 P11229 5/20 1.00
CHRM4 P08173 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
TSHR P16473 2/20 0.95
BLM P54132 5/20 0.79
PABPC1 P11940 1/20 0.75
CYP2C19 P33261 1/20 0.73
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
ADRA2C P18825 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ipratropium SCHEMBL820105 1.00 CHRM2 (1.00) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL1476937 1.00 CHRM2 (1.00) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL1476940 1.00 CHRM2 (1.00) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL1476943 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL29152427 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL3136875 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL16762661 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL3852 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL3854 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4
Ipratropium SCHEMBL6854302 0.99 CHRM2 (0.98) CHRM2CHRM5CHRM1CHRM3CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200187851-A1 PERIODONTAL DISEASE STRATIFICATION AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-06-18 US claimed
US-20200187851-A1 PERIODONTAL DISEASE STRATIFICATION AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-06-18 US disclosed
CN-105358178-B For being applied to the composition comprising methylcellulose of mucous membrane 陶氏环球技术有限责任公司 2019-05-31 CN disclosed
CN-105517537-B Composition for application to mucosa comprising cellulose ether 陶氏环球技术有限责任公司 2018-04-17 CN disclosed
CN-107428846-A COMPOSITION CONTAINING CATIONIC HYDROXYETHYL CELLULOSE 陶氏环球技术有限责任公司 2017-12-01 CN disclosed
CN-107405303-A The aqueous solution of polymer 陶氏环球技术有限责任公司 2017-11-28 CN disclosed